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#$Date: 2015-10-13 15:37:08 +0200 (mar 13 de oct de 2015) $
#$Revision: 167179 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538546.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538546
loop_
_publ_author_name
'Salomons, W.'
'Wiegers, G.A.'
_publ_section_title
;
 The system zirconium-selenium. Structures of the phases Zr3 Se4 and Zr2
 Se3
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              1339
_journal_page_last               1344
_journal_volume                  87
_journal_year                    1968
_chemical_formula_sum            'Se6 Zr3.75'
_chemical_name_systematic        'Zr3.75 Se6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.753
_cell_length_b                   3.753
_cell_length_c                   18.703
_cell_volume                     228.139
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Salomons_RTCPA3_1968_1644.cif
_cod_data_source_block           Se6Zr3.75
_cod_original_cell_volume        228.1387
_cod_database_code               1538546
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr2 Zr 0 0 0 0.625 0.0
Zr1 Zr 0 0 0.5 0.625 0.0
Se1 Se 0 0 0.25 1 0.0
